N-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzothiazol-2-yl)piperidine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzothiazol-2-yl)piperidine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzothiazol-2-yl)piperidine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzothiazol-2-yl)-1-piperidinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzothiazol-2-yl)piperidine-1-carbothioamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-piperonyl-piperidine-1-carbothioamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=S)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=S)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21N3O2S2/c27-21(22-12-14-5-6-17-18(11-14)26-13-25-17)24-9-7-15(8-10-24)20-23-16-3-1-2-4-19(16)28-20/h1-6,11,15H,7-10,12-13H2,(H,22,27)